4-[(2,5-dichlorophenoxy)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C21H15N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(2,5-dichlorophenoxy)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(2,5-dichlorophenoxy)methyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N3O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2ccc(COc(cc(cc3)Cl)c3Cl)cc2)=O)cc1)=O |
| InChI | InChI=1S/C21H15Cl2N3O4/c22-17-7-10-19(23)20(11-17)30-13-15-1-5-16(6-2-15)21(27)25-24-12-14-3-8-18(9-4-14)26(28)29/h1-12H,13H2,(H,25,27) |
| InChIK | ABPVSXYSPZKPOF-UHFFFAOYSA-N |
| TotalMolweight | 444.273 |
| Molweight | 444.273 |
| MonoisotopicMass | 443.043961 |
| CLogP | 4.8401 |
| CLogS | -6.994 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.02 |
| Relative PSA | 0.23515 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0722 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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